(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C12H18N4S — CID 66134524

IUPAC(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCCn1cncc1C(N)c1nc(C(C)C)cs1
InChIInChI=1S/C12H18N4S/c1-4-16-7-14-5-10(16)11(13)12-15-9(6-17-12)8(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyHVFCVSIWPIGWFQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.53
Rot. Bonds4

About (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 66134524) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID66134524
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCCn1cncc1C(N)c1nc(C(C)C)cs1
InChIInChI=1S/C12H18N4S/c1-4-16-7-14-5-10(16)11(13)12-15-9(6-17-12)8(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyHVFCVSIWPIGWFQ-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 66134524) is (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CCn1cncc1C(N)c1nc(C(C)C)cs1.
What is the InChIKey of (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is HVFCVSIWPIGWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-16-7-14-5-10(16)11(13)12-15-9(6-17-12)8(2)3/h5-8,11H,4,13H2,1-3H3.
What are the key properties of (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 66134524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).