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

C12H18N4S — CID 106719449

IUPACN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1nc(Cn2cnc(CNC(C)C)c2)cs1
InChIInChI=1S/C12H18N4S/c1-9(2)13-4-11-5-16(8-14-11)6-12-7-17-10(3)15-12/h5,7-9,13H,4,6H2,1-3H3
InChIKeyPYMMYDQAXCVQOM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.19
Rot. Bonds5

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

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719449) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719449
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1nc(Cn2cnc(CNC(C)C)c2)cs1
InChIInChI=1S/C12H18N4S/c1-9(2)13-4-11-5-16(8-14-11)6-12-7-17-10(3)15-12/h5,7-9,13H,4,6H2,1-3H3
InChIKeyPYMMYDQAXCVQOM-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719402
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721394
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204577
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719446
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
N-[[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719574

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 106719449) is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is Cc1nc(Cn2cnc(CNC(C)C)c2)cs1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is PYMMYDQAXCVQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)13-4-11-5-16(8-14-11)6-12-7-17-10(3)15-12/h5,7-9,13H,4,6H2,1-3H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).