N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C12H18N6O2S — CID 80617567

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cnn(CCOC)c2)s1
InChIInChI=1S/C12H18N6O2S/c1-3-4-13-12-17-16-11(21-12)10(19)15-9-7-14-18(8-9)5-6-20-2/h7-8H,3-6H2,1-2H3,(H,13,17)(H,15,19)
InChIKeyUYOSBTZUGJJQNR-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.46
Rot. Bonds8

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617567) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617567
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cnn(CCOC)c2)s1
InChIInChI=1S/C12H18N6O2S/c1-3-4-13-12-17-16-11(21-12)10(19)15-9-7-14-18(8-9)5-6-20-2/h7-8H,3-6H2,1-2H3,(H,13,17)(H,15,19)
InChIKeyUYOSBTZUGJJQNR-UHFFFAOYSA-N
XLogP1.46
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 76921677
N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615091
1-butyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 113226469
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619227
1-[(4-bromothiophen-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
CID 55836626
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80617567) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)Nc2cnn(CCOC)c2)s1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UYOSBTZUGJJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-4-13-12-17-16-11(21-12)10(19)15-9-7-14-18(8-9)5-6-20-2/h7-8H,3-6H2,1-2H3,(H,13,17)(H,15,19).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).