(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide

C15H20N6OS — CID 166314699

IUPAC(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1ccnc1C[C@@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H20N6OS/c1-20-8-6-16-12(20)9-11-3-2-7-21(11)15(22)17-14-19-18-13(23-14)10-4-5-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,19,22)/t11-/m0/s1
InChIKeySFXOATRPRAFWQP-NSHDSACASA-N
MW332.43 g/mol
LogP2.39
Rot. Bonds4

About (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide

(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 166314699) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID166314699
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1ccnc1C[C@@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H20N6OS/c1-20-8-6-16-12(20)9-11-3-2-7-21(11)15(22)17-14-19-18-13(23-14)10-4-5-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,19,22)/t11-/m0/s1
InChIKeySFXOATRPRAFWQP-NSHDSACASA-N
XLogP2.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 52502776
(2R)-2-[(1-methylimidazol-2-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166314321
(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078379
(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 97099007
(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95154853
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide
CID 124843387
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52508589
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
CID 95144645
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 124757594
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide (CID 166314699) is (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide is Cn1ccnc1C[C@@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SFXOATRPRAFWQP-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6OS/c1-20-8-6-16-12(20)9-11-3-2-7-21(11)15(22)17-14-19-18-13(23-14)10-4-5-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,19,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 166314699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).