4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine

C15H22N4S2 — CID 103505421

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
SMILESCc1nc(-c2c(N)nsc2N2CCC(C(C)C)CC2)cs1
InChIInChI=1S/C15H22N4S2/c1-9(2)11-4-6-19(7-5-11)15-13(14(16)18-21-15)12-8-20-10(3)17-12/h8-9,11H,4-7H2,1-3H3,(H2,16,18)
InChIKeyHRCLAMHFPBLQDA-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.03
Rot. Bonds3

About 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine

4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103505421) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103505421
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
SMILESCc1nc(-c2c(N)nsc2N2CCC(C(C)C)CC2)cs1
InChIInChI=1S/C15H22N4S2/c1-9(2)11-4-6-19(7-5-11)15-13(14(16)18-21-15)12-8-20-10(3)17-12/h8-9,11H,4-7H2,1-3H3,(H2,16,18)
InChIKeyHRCLAMHFPBLQDA-UHFFFAOYSA-N
XLogP4.03
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
CID 103383882
4-(2-methyl-1,3-thiazol-4-yl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103378152
5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384750
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426
1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
CID 103381037
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
CID 103384839
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103365241
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103384525
5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384935

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine (CID 103505421) is 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine is Cc1nc(-c2c(N)nsc2N2CCC(C(C)C)CC2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is HRCLAMHFPBLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-9(2)11-4-6-19(7-5-11)15-13(14(16)18-21-15)12-8-20-10(3)17-12/h8-9,11H,4-7H2,1-3H3,(H2,16,18).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine?
4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 322.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103505421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).