N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C15H16N6O2S — CID 124848787

IUPACN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1nnnn1C1CC1
InChIInChI=1S/C15H16N6O2S/c1-8(13-18-19-20-21(13)10-5-6-10)16-14(22)12-9(2)24-15(17-12)11-4-3-7-23-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,22)/t8-/m1/s1
InChIKeyNKFQXWARKQGVNR-MRVPVSSYSA-N
MW344.40 g/mol
LogP2.52
Rot. Bonds5

About N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 124848787) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID124848787
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1nnnn1C1CC1
InChIInChI=1S/C15H16N6O2S/c1-8(13-18-19-20-21(13)10-5-6-10)16-14(22)12-9(2)24-15(17-12)11-4-3-7-23-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,22)/t8-/m1/s1
InChIKeyNKFQXWARKQGVNR-MRVPVSSYSA-N
XLogP2.52
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 55572070
2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 115735226
5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 124726467
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754
2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51934328
2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 51934353
2-(furan-2-yl)-N-(4-hydroxypentyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 107299887
2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 43055913
2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120555681
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 124848787) is N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1nnnn1C1CC1.
What is the InChIKey of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NKFQXWARKQGVNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-8(13-18-19-20-21(13)10-5-6-10)16-14(22)12-9(2)24-15(17-12)11-4-3-7-23-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,22)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124848787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).