N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

C14H21N5OS — CID 91775120

IUPACN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1nc(C(C)C)sc1CNC(=O)CCCn1cncn1
InChIInChI=1S/C14H21N5OS/c1-10(2)14-18-11(3)12(21-14)7-16-13(20)5-4-6-19-9-15-8-17-19/h8-10H,4-7H2,1-3H3,(H,16,20)
InChIKeyGCECCNXHUICDOT-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.26
Rot. Bonds7

About N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 91775120) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID91775120
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1nc(C(C)C)sc1CNC(=O)CCCn1cncn1
InChIInChI=1S/C14H21N5OS/c1-10(2)14-18-11(3)12(21-14)7-16-13(20)5-4-6-19-9-15-8-17-19/h8-10H,4-7H2,1-3H3,(H,16,20)
InChIKeyGCECCNXHUICDOT-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 118779746
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119163257
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91778266
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91793199
5-methyl-N-[3-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 26280392
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 111478935
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131901507
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 91762133

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 91775120) is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is Cc1nc(C(C)C)sc1CNC(=O)CCCn1cncn1.
What is the InChIKey of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is GCECCNXHUICDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10(2)14-18-11(3)12(21-14)7-16-13(20)5-4-6-19-9-15-8-17-19/h8-10H,4-7H2,1-3H3,(H,16,20).
What are the key properties of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 307.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 91775120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).