(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine

C10H18N2S — CID 82431364

IUPAC(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
SMILESCCCc1nc(C(C)C)sc1CN
InChIInChI=1S/C10H18N2S/c1-4-5-8-9(6-11)13-10(12-8)7(2)3/h7H,4-6,11H2,1-3H3
InChIKeyLKFPEEYOPOENIV-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.68
Rot. Bonds4

About (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine

(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine (PubChem CID 82431364) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
PubChem CID82431364
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
SMILESCCCc1nc(C(C)C)sc1CN
InChIInChI=1S/C10H18N2S/c1-4-5-8-9(6-11)13-10(12-8)7(2)3/h7H,4-6,11H2,1-3H3
InChIKeyLKFPEEYOPOENIV-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine (CID 82431364) is (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine is CCCc1nc(C(C)C)sc1CN.
What is the InChIKey of (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is LKFPEEYOPOENIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-8-9(6-11)13-10(12-8)7(2)3/h7H,4-6,11H2,1-3H3.
What are the key properties of (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine?
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 198.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 82431364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).