4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C12H15N3S2 — CID 82432278

IUPAC4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(C2CC2)sc1-c1csc(N)n1
InChIInChI=1S/C12H15N3S2/c1-2-3-8-10(9-6-16-12(13)15-9)17-11(14-8)7-4-5-7/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyDVFLXEMQAVLYQS-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.68
Rot. Bonds4

About 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82432278) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82432278
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(C2CC2)sc1-c1csc(N)n1
InChIInChI=1S/C12H15N3S2/c1-2-3-8-10(9-6-16-12(13)15-9)17-11(14-8)7-4-5-7/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyDVFLXEMQAVLYQS-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82432281
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82432860
4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 130831676
2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine
CID 62077188
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431731
4-[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82437022
[2-(4-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361233
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429533
2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
CID 116504998
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82432278) is 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCCc1nc(C2CC2)sc1-c1csc(N)n1.
What is the InChIKey of 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is DVFLXEMQAVLYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-3-8-10(9-6-16-12(13)15-9)17-11(14-8)7-4-5-7/h6-7H,2-5H2,1H3,(H2,13,15).
What are the key properties of 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 265.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82432278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).