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

C13H20N4S — CID 66131032

IUPAC(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1C(N)c1nc(C(C)C)cs1
InChIInChI=1S/C13H20N4S/c1-4-5-17-8-15-6-11(17)12(14)13-16-10(7-18-13)9(2)3/h6-9,12H,4-5,14H2,1-3H3
InChIKeyHWPRRVDKKVEEPC-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.92
Rot. Bonds5

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

(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine (PubChem CID 66131032) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
PubChem CID66131032
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1C(N)c1nc(C(C)C)cs1
InChIInChI=1S/C13H20N4S/c1-4-5-17-8-15-6-11(17)12(14)13-16-10(7-18-13)9(2)3/h6-9,12H,4-5,14H2,1-3H3
InChIKeyHWPRRVDKKVEEPC-UHFFFAOYSA-N
XLogP2.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine?
The IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine (CID 66131032) is (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine.
What is the SMILES notation for (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine?
The canonical SMILES for (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine is CCCn1cncc1C(N)c1nc(C(C)C)cs1.
What is the InChIKey of (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine?
The InChIKey is HWPRRVDKKVEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-5-17-8-15-6-11(17)12(14)13-16-10(7-18-13)9(2)3/h6-9,12H,4-5,14H2,1-3H3.
What are the key properties of (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine?
(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine has a molecular weight of 264.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine is sourced from PubChem (CID 66131032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).