N-(3-methoxypropyl)-1,3-thiazol-2-amine

C7H12N2OS — CID 10797288

IUPACN-(3-methoxypropyl)-1,3-thiazol-2-amine
SMILESCOCCCNc1nccs1
InChIInChI=1S/C7H12N2OS/c1-10-5-2-3-8-7-9-4-6-11-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyYCRFTOQKGOQIIY-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.59
Rot. Bonds5

About N-(3-methoxypropyl)-1,3-thiazol-2-amine

N-(3-methoxypropyl)-1,3-thiazol-2-amine (PubChem CID 10797288) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,3-thiazol-2-amine
PubChem CID10797288
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-(3-methoxypropyl)-1,3-thiazol-2-amine
SMILESCOCCCNc1nccs1
InChIInChI=1S/C7H12N2OS/c1-10-5-2-3-8-7-9-4-6-11-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyYCRFTOQKGOQIIY-UHFFFAOYSA-N
XLogP1.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamidothiazole
CID 17625
Butyl 1,3-thiazol-2-ylcarbamate
CID 1562703
2-Thiazolecarbamic acid, ethyl ester
CID 77241
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
1-Propyl-3-(1,3-thiazol-2-yl)urea
CID 2130249
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine
CID 73994620
3-((1,3-Thiazol-2-yl)amino)propanoic acid
CID 10559109
N-methyl-1,3-thiazol-2-amine
CID 11959081
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1,3-thiazol-2-amine (CID 10797288) is N-(3-methoxypropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1,3-thiazol-2-amine is COCCCNc1nccs1.
What is the InChIKey of N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The InChIKey is YCRFTOQKGOQIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-10-5-2-3-8-7-9-4-6-11-7/h4,6H,2-3,5H2,1H3,(H,8,9).
What are the key properties of N-(3-methoxypropyl)-1,3-thiazol-2-amine?
N-(3-methoxypropyl)-1,3-thiazol-2-amine has a molecular weight of 172.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10797288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).