4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine

C12H23N3S — CID 65485245

IUPAC4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCCC(C)NCCc1csc(N)n1
InChIInChI=1S/C12H23N3S/c1-3-4-5-6-10(2)14-8-7-11-9-16-12(13)15-11/h9-10,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyPDEOOWPTJZGOLV-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.83
Rot. Bonds8

About 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine

4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 65485245) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID65485245
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCCC(C)NCCc1csc(N)n1
InChIInChI=1S/C12H23N3S/c1-3-4-5-6-10(2)14-8-7-11-9-16-12(13)15-11/h9-10,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyPDEOOWPTJZGOLV-UHFFFAOYSA-N
XLogP2.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.83
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

ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 54244678
4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483489
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65484657
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115716293
4-butyl-1,3-thiazol-2-amine;pyridine;hydrochloride
CID 174616600
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
4-[(heptan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103247348
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
4-[2-(hexan-2-ylamino)ethyl]aniline
CID 62199328
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931

Frequently Asked Questions

What is the IUPAC name of 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine (CID 65485245) is 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine is CCCCCC(C)NCCc1csc(N)n1.
What is the InChIKey of 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is PDEOOWPTJZGOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-3-4-5-6-10(2)14-8-7-11-9-16-12(13)15-11/h9-10,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65485245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).