N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C16H26N2O2S — CID 56684363

IUPACN-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)C(C)N(C(=O)C1CSC2(C)CCC(=O)N12)C1CC1
InChIInChI=1S/C16H26N2O2S/c1-10(2)11(3)17(12-5-6-12)15(20)13-9-21-16(4)8-7-14(19)18(13)16/h10-13H,5-9H2,1-4H3
InChIKeySVENDRZJEIGMPN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.48
Rot. Bonds4

About N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56684363) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56684363
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)C(C)N(C(=O)C1CSC2(C)CCC(=O)N12)C1CC1
InChIInChI=1S/C16H26N2O2S/c1-10(2)11(3)17(12-5-6-12)15(20)13-9-21-16(4)8-7-14(19)18(13)16/h10-13H,5-9H2,1-4H3
InChIKeySVENDRZJEIGMPN-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 56684363) is N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC(C)C(C)N(C(=O)C1CSC2(C)CCC(=O)N12)C1CC1.
What is the InChIKey of N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is SVENDRZJEIGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10(2)11(3)17(12-5-6-12)15(20)13-9-21-16(4)8-7-14(19)18(13)16/h10-13H,5-9H2,1-4H3.
What are the key properties of N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7a-methyl-N-(3-methylbutan-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).