N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide

C14H18N4O2S2 — CID 75422005

IUPACN-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide
SMILESCCCC(C)(CNC(=O)c1cscn1)NC(=O)c1cscn1
InChIInChI=1S/C14H18N4O2S2/c1-3-4-14(2,18-13(20)11-6-22-9-17-11)7-15-12(19)10-5-21-8-16-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,19)(H,18,20)
InChIKeyPNFNYIANRWCOCJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.32
Rot. Bonds7

About N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide

N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide (PubChem CID 75422005) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide
PubChem CID75422005
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC NameN-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide
SMILESCCCC(C)(CNC(=O)c1cscn1)NC(=O)c1cscn1
InChIInChI=1S/C14H18N4O2S2/c1-3-4-14(2,18-13(20)11-6-22-9-17-11)7-15-12(19)10-5-21-8-16-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,19)(H,18,20)
InChIKeyPNFNYIANRWCOCJ-UHFFFAOYSA-N
XLogP2.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 114307887
N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 115610740
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 99835171
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 110436445

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide (CID 75422005) is N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide is CCCC(C)(CNC(=O)c1cscn1)NC(=O)c1cscn1.
What is the InChIKey of N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PNFNYIANRWCOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-3-4-14(2,18-13(20)11-6-22-9-17-11)7-15-12(19)10-5-21-8-16-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,19)(H,18,20).
What are the key properties of N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide?
N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75422005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).