N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine

C12H18N4S — CID 106571805

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine
SMILESCc1csc(CCNc2nccn2C(C)C)n1
InChIInChI=1S/C12H18N4S/c1-9(2)16-7-6-14-12(16)13-5-4-11-15-10(3)8-17-11/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyRJHOKZFQRCAJGH-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine (PubChem CID 106571805) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine
PubChem CID106571805
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine
SMILESCc1csc(CCNc2nccn2C(C)C)n1
InChIInChI=1S/C12H18N4S/c1-9(2)16-7-6-14-12(16)13-5-4-11-15-10(3)8-17-11/h6-9H,4-5H2,1-3H3,(H,13,14)
InChIKeyRJHOKZFQRCAJGH-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methoxypropan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571790
1-cyclopentyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571823
1,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571807
N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
CID 106581739
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62866188
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide
CID 91840007
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612
2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827845

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine (CID 106571805) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine is Cc1csc(CCNc2nccn2C(C)C)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine?
The InChIKey is RJHOKZFQRCAJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)16-7-6-14-12(16)13-5-4-11-15-10(3)8-17-11/h6-9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106571805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).