N-butyl-1,3-thiazol-2-amine

C7H12N2S — CID 4712356

IUPACN-butyl-1,3-thiazol-2-amine
SMILESCCCCNc1nccs1
InChIInChI=1S/C7H12N2S/c1-2-3-4-8-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyBAJHQTXOZZKKCA-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.36
Rot. Bonds4

About N-butyl-1,3-thiazol-2-amine

N-butyl-1,3-thiazol-2-amine (PubChem CID 4712356) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-1,3-thiazol-2-amine
PubChem CID4712356
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-butyl-1,3-thiazol-2-amine
SMILESCCCCNc1nccs1
InChIInChI=1S/C7H12N2S/c1-2-3-4-8-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyBAJHQTXOZZKKCA-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminothiazole
CID 2155
2-Acetamidothiazole
CID 17625
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
1-Propyl-3-(1,3-thiazol-2-yl)urea
CID 2130249
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
2-((1,3-Thiazol-2-ylamino)methylene)malononitrile
CID 2800869
N-methyl-1,3-thiazol-2-amine
CID 11959081
2-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 3140495
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
1-(Thiazol-2-yl)piperazine
CID 911806

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-1,3-thiazol-2-amine (CID 4712356) is N-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-1,3-thiazol-2-amine is CCCCNc1nccs1.
What is the InChIKey of N-butyl-1,3-thiazol-2-amine?
The InChIKey is BAJHQTXOZZKKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-3-4-8-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of N-butyl-1,3-thiazol-2-amine?
N-butyl-1,3-thiazol-2-amine has a molecular weight of 156.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4712356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).