5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide

C10H14N4OS — CID 80617173

IUPAC5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)N(CC2CC2)C2CC2)s1
InChIInChI=1S/C10H14N4OS/c11-10-13-12-8(16-10)9(15)14(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2,(H2,11,13)
InChIKeyPDZXVMRIGWORHW-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.13
Rot. Bonds4

About 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617173) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617173
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)N(CC2CC2)C2CC2)s1
InChIInChI=1S/C10H14N4OS/c11-10-13-12-8(16-10)9(15)14(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2,(H2,11,13)
InChIKeyPDZXVMRIGWORHW-UHFFFAOYSA-N
XLogP1.13
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 114193974
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
CID 114896646
(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
CID 176892157
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66125071
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 80616823
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide
CID 62793339

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617173) is 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)N(CC2CC2)C2CC2)s1.
What is the InChIKey of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PDZXVMRIGWORHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-10-13-12-8(16-10)9(15)14(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2,(H2,11,13).
What are the key properties of 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).