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

C15H18N4OS2 — CID 118433069

IUPAC5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CC3)c2)s1
InChIInChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)10-4-13(21-7-10)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-/m1/s1
InChIKeyZZLBFEKJJDCLHD-VXGBXAGGSA-N
MW334.47 g/mol
LogP3.02
Rot. Bonds6

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

5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (PubChem CID 118433069) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
PubChem CID118433069
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CC3)c2)s1
InChIInChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)10-4-13(21-7-10)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-/m1/s1
InChIKeyZZLBFEKJJDCLHD-VXGBXAGGSA-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 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (CID 118433069) is 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is Cc1nnc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CC3)c2)s1.
What is the InChIKey of 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is ZZLBFEKJJDCLHD-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)10-4-13(21-7-10)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-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-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 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 118433069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).