1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea

C13H18N6OS — CID 118784257

IUPAC1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCc2cn3c(n2)SCC3)cn1
InChIInChI=1S/C13H18N6OS/c1-9(2)19-8-11(6-15-19)16-12(20)14-5-10-7-18-3-4-21-13(18)17-10/h6-9H,3-5H2,1-2H3,(H2,14,16,20)
InChIKeyNDSWIVPJQFACQR-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.09
Rot. Bonds4

About 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea

1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 118784257) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID118784257
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCc2cn3c(n2)SCC3)cn1
InChIInChI=1S/C13H18N6OS/c1-9(2)19-8-11(6-15-19)16-12(20)14-5-10-7-18-3-4-21-13(18)17-10/h6-9H,3-5H2,1-2H3,(H2,14,16,20)
InChIKeyNDSWIVPJQFACQR-UHFFFAOYSA-N
XLogP2.09
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618216
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618197
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide
CID 125420333
1-(5-hydroxy-4,4-dimethylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618223
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74246877
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
5-acetyl-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-3-carboxamide
CID 72843322
2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904611

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 118784257) is 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)NCc2cn3c(n2)SCC3)cn1.
What is the InChIKey of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is NDSWIVPJQFACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-9(2)19-8-11(6-15-19)16-12(20)14-5-10-7-18-3-4-21-13(18)17-10/h6-9H,3-5H2,1-2H3,(H2,14,16,20).
What are the key properties of 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 306.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 118784257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).