1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C19H27N5O2S — CID 146610602

IUPAC1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCC(C)N1C=CC(S(N)(=O)=NC(=O)Nc2c3c(cc4c2CCC4)CCC3)N1
InChIInChI=1S/C19H27N5O2S/c1-12(2)24-10-9-17(22-24)27(20,26)23-19(25)21-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12,17,22H,3-8H2,1-2H3,(H3,20,21,23,25,26)
InChIKeyJMPYCTYSVULISV-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.61
Rot. Bonds3

About 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 146610602) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID146610602
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCC(C)N1C=CC(S(N)(=O)=NC(=O)Nc2c3c(cc4c2CCC4)CCC3)N1
InChIInChI=1S/C19H27N5O2S/c1-12(2)24-10-9-17(22-24)27(20,26)23-19(25)21-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12,17,22H,3-8H2,1-2H3,(H3,20,21,23,25,26)
InChIKeyJMPYCTYSVULISV-UHFFFAOYSA-N
XLogP2.61
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea with MolForge

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Related Compounds

1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
1-[amino-[4-(azetidin-2-yl)phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146571021
1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146610658
1-[amino-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146611208
1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146612068
1-[amino-(3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165370310
1-[amino-(2-tert-butyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 167348293
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137453321
1-[amino-(6-cyclopentyl-3-pyridinyl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146610891
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
CID 146515062
1-[amino-[3-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137453289
CID 137453163
CID 137453163

Frequently Asked Questions

What is the IUPAC name of 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 146610602) is 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CC(C)N1C=CC(S(N)(=O)=NC(=O)Nc2c3c(cc4c2CCC4)CCC3)N1.
What is the InChIKey of 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is JMPYCTYSVULISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-12(2)24-10-9-17(22-24)27(20,26)23-19(25)21-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12,17,22H,3-8H2,1-2H3,(H3,20,21,23,25,26).
What are the key properties of 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 389.53 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 146610602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).