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

C12H17N3S2 — CID 82514661

IUPAC4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(C(C)C)s2)cs1
InChIInChI=1S/C12H17N3S2/c1-4-5-13-12-15-9(7-16-12)10-6-14-11(17-10)8(2)3/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyBUJYHCJUGCXDOH-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.21
Rot. Bonds5

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

4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 82514661) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID82514661
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(C(C)C)s2)cs1
InChIInChI=1S/C12H17N3S2/c1-4-5-13-12-15-9(7-16-12)10-6-14-11(17-10)8(2)3/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyBUJYHCJUGCXDOH-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82423690
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498
4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82435996
4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423655
N-ethyl-4-(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431379
4-(2-methyl-6-propan-2-yl-3-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 82452153
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
4-(4-propoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 63473179
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (CID 82514661) is 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2cnc(C(C)C)s2)cs1.
What is the InChIKey of 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is BUJYHCJUGCXDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-4-5-13-12-15-9(7-16-12)10-6-14-11(17-10)8(2)3/h6-8H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82514661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).