N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C14H15N5OS — CID 16671741

IUPACN-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H](C)Cn1nnc2ccccc21
InChIInChI=1S/C14H15N5OS/c1-9(16-14(20)13-10(2)15-8-21-13)7-19-12-6-4-3-5-11(12)17-18-19/h3-6,8-9H,7H2,1-2H3,(H,16,20)/t9-/m1/s1
InChIKeyZDHMALPPEUSYHO-SECBINFHSA-N
MW301.38 g/mol
LogP2.01
Rot. Bonds4

About N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16671741) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16671741
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H](C)Cn1nnc2ccccc21
InChIInChI=1S/C14H15N5OS/c1-9(16-14(20)13-10(2)15-8-21-13)7-19-12-6-4-3-5-11(12)17-18-19/h3-6,8-9H,7H2,1-2H3,(H,16,20)/t9-/m1/s1
InChIKeyZDHMALPPEUSYHO-SECBINFHSA-N
XLogP2.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
CID 16671578
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 16671589
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
CID 16671536
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
CID 95791798
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62092045
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
CID 16672272
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
4-(benzotriazol-1-ylmethyl)-N-[(2S)-5-methylhexan-2-yl]benzamide
CID 51883561
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide
CID 16671688
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 16671741) is N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@H](C)Cn1nnc2ccccc21.
What is the InChIKey of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZDHMALPPEUSYHO-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9(16-14(20)13-10(2)15-8-21-13)7-19-12-6-4-3-5-11(12)17-18-19/h3-6,8-9H,7H2,1-2H3,(H,16,20)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16671741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).