2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

C18H26N6S — CID 45195197

IUPAC2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3cc(C4CCNCC4)ncn3)CC2)cs1
InChIInChI=1S/C18H26N6S/c1-14-22-16(12-25-14)11-23-6-8-24(9-7-23)18-10-17(20-13-21-18)15-2-4-19-5-3-15/h10,12-13,15,19H,2-9,11H2,1H3
InChIKeyAEOQCSRLHBSKHG-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 45195197) has the molecular formula C18H26N6S and a molecular weight of 358.52 g/mol. Its IUPAC name is 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID45195197
Molecular FormulaC18H26N6S
Molecular Weight358.52 g/mol
Exact Mass358.19
IUPAC Name2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3cc(C4CCNCC4)ncn3)CC2)cs1
InChIInChI=1S/C18H26N6S/c1-14-22-16(12-25-14)11-23-6-8-24(9-7-23)18-10-17(20-13-21-18)15-2-4-19-5-3-15/h10,12-13,15,19H,2-9,11H2,1H3
InChIKeyAEOQCSRLHBSKHG-UHFFFAOYSA-N
XLogP2.03
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

N-cyclopropyl-4-(1-(2-(thiazol-4-yl)ethyl)piperidin-3-yl)pyrimidin-2-amine
CID 44591284
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
2-[6-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
CID 45174622
5-(2-Methyl-6-piperidin-3-ylpyrimidin-4-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 56712445
2-Methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56882695
N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 76146825
4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842601
N-ethyl-N-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97381450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 45195197) is 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCN(c3cc(C4CCNCC4)ncn3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AEOQCSRLHBSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6S/c1-14-22-16(12-25-14)11-23-6-8-24(9-7-23)18-10-17(20-13-21-18)15-2-4-19-5-3-15/h10,12-13,15,19H,2-9,11H2,1H3.
What are the key properties of 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 358.52 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(6-piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 45195197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).