N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide

C12H18N4OS — CID 106599443

IUPACN-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H18N4OS/c1-8-11(18-15-14-8)12(17)16(10-4-5-10)7-9-3-2-6-13-9/h9-10,13H,2-7H2,1H3
InChIKeyQRKCJQZAVBFTHX-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.20
Rot. Bonds4

About N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide

N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 106599443) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID106599443
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H18N4OS/c1-8-11(18-15-14-8)12(17)16(10-4-5-10)7-9-3-2-6-13-9/h9-10,13H,2-7H2,1H3
InChIKeyQRKCJQZAVBFTHX-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 106626701
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106599359
N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106627200
N-(piperidin-2-ylmethyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 106626410
N-ethyl-N-(piperidin-2-ylmethyl)-4-propylthiadiazole-5-carboxamide
CID 106626170
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2H-tetrazole-5-carboxamide
CID 106626973
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
CID 119510567
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide (CID 106599443) is N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is QRKCJQZAVBFTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-11(18-15-14-8)12(17)16(10-4-5-10)7-9-3-2-6-13-9/h9-10,13H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide?
N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 106599443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).