4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C15H18N4OS2 — CID 118432893

IUPAC4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)cs2)s1
InChIInChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-4-10(7-21-13)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)/t11-,12+/m0/s1
InChIKeyVNXLMJGQXWEBFC-NWDGAFQWSA-N
MW334.47 g/mol
LogP3.02
Rot. Bonds6

About 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 118432893) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID118432893
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)cs2)s1
InChIInChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-4-10(7-21-13)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)/t11-,12+/m0/s1
InChIKeyVNXLMJGQXWEBFC-NWDGAFQWSA-N
XLogP3.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 118432893) is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)cs2)s1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is VNXLMJGQXWEBFC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-4-10(7-21-13)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)/t11-,12+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).