N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide

C15H24N6OS — CID 95132477

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide
SMILESCCn1ncnc1[C@H](C)NCC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H24N6OS/c1-6-21-13(17-9-18-21)10(2)16-7-12(22)20-14-19-11(8-23-14)15(3,4)5/h8-10,16H,6-7H2,1-5H3,(H,19,20,22)/t10-/m0/s1
InChIKeyQVKSBHZNBCTENT-JTQLQIEISA-N
MW336.47 g/mol
LogP2.34
Rot. Bonds6

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide (PubChem CID 95132477) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide
PubChem CID95132477
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide
SMILESCCn1ncnc1[C@H](C)NCC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H24N6OS/c1-6-21-13(17-9-18-21)10(2)16-7-12(22)20-14-19-11(8-23-14)15(3,4)5/h8-10,16H,6-7H2,1-5H3,(H,19,20,22)/t10-/m0/s1
InChIKeyQVKSBHZNBCTENT-JTQLQIEISA-N
XLogP2.34
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
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4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
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N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 50965898
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
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(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91945783
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide (CID 95132477) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide is CCn1ncnc1[C@H](C)NCC(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide?
The InChIKey is QVKSBHZNBCTENT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N6OS/c1-6-21-13(17-9-18-21)10(2)16-7-12(22)20-14-19-11(8-23-14)15(3,4)5/h8-10,16H,6-7H2,1-5H3,(H,19,20,22)/t10-/m0/s1.
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide has a molecular weight of 336.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide is sourced from PubChem (CID 95132477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).