2-(pentylamino)-1,3-thiazole-4-carboxamide

C9H15N3OS — CID 69456979

IUPAC2-(pentylamino)-1,3-thiazole-4-carboxamide
SMILESCCCCCNc1nc(C(N)=O)cs1
InChIInChI=1S/C9H15N3OS/c1-2-3-4-5-11-9-12-7(6-14-9)8(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyPXFGIWCRDHVNEQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.84
Rot. Bonds6

About 2-(pentylamino)-1,3-thiazole-4-carboxamide

2-(pentylamino)-1,3-thiazole-4-carboxamide (PubChem CID 69456979) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(pentylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(pentylamino)-1,3-thiazole-4-carboxamide
PubChem CID69456979
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(pentylamino)-1,3-thiazole-4-carboxamide
SMILESCCCCCNc1nc(C(N)=O)cs1
InChIInChI=1S/C9H15N3OS/c1-2-3-4-5-11-9-12-7(6-14-9)8(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyPXFGIWCRDHVNEQ-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
4-bromo-N-octyl-1,3-thiazol-2-amine
CID 115568968
[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 87148506
ethyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 114136482
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylic acid
CID 106006405
ethyl 2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
CID 106044654
methyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106006432
methyl 3-[2-[(5-amino-5-oxopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114162847
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
CID 79400565
1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 42813693

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(pentylamino)-1,3-thiazole-4-carboxamide (CID 69456979) is 2-(pentylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(pentylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(pentylamino)-1,3-thiazole-4-carboxamide is CCCCCNc1nc(C(N)=O)cs1.
What is the InChIKey of 2-(pentylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is PXFGIWCRDHVNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-3-4-5-11-9-12-7(6-14-9)8(10)13/h6H,2-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-(pentylamino)-1,3-thiazole-4-carboxamide?
2-(pentylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 69456979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).