N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide

C15H18N6O2S2 — CID 164638172

IUPACN-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N1CC[C@H](N(C(=O)c2snnc2C)C2CC2)C1
InChIInChI=1S/C15H18N6O2S2/c1-8-12(24-18-16-8)14(22)20-6-5-11(7-20)21(10-3-4-10)15(23)13-9(2)17-19-25-13/h10-11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyHTBCZLIOJFVQCY-NSHDSACASA-N
MW378.48 g/mol
LogP1.53
Rot. Bonds4

About N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide

N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 164638172) has the molecular formula C15H18N6O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide
PubChem CID164638172
Molecular FormulaC15H18N6O2S2
Molecular Weight378.48 g/mol
Exact Mass378.09
IUPAC NameN-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N1CC[C@H](N(C(=O)c2snnc2C)C2CC2)C1
InChIInChI=1S/C15H18N6O2S2/c1-8-12(24-18-16-8)14(22)20-6-5-11(7-20)21(10-3-4-10)15(23)13-9(2)17-19-25-13/h10-11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyHTBCZLIOJFVQCY-NSHDSACASA-N
XLogP1.53
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide (CID 164638172) is N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N1CC[C@H](N(C(=O)c2snnc2C)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is HTBCZLIOJFVQCY-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N6O2S2/c1-8-12(24-18-16-8)14(22)20-6-5-11(7-20)21(10-3-4-10)15(23)13-9(2)17-19-25-13/h10-11H,3-7H2,1-2H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide?
N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 164638172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).