N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C18H25N7S — CID 126615650

IUPACN,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C2CCCN(Cc3sc(N(C)C)nc3C)C2)n2ncnc2n1
InChIInChI=1S/C18H25N7S/c1-12-8-15(25-17(21-12)19-11-20-25)14-6-5-7-24(9-14)10-16-13(2)22-18(26-16)23(3)4/h8,11,14H,5-7,9-10H2,1-4H3
InChIKeyRVVZPRSNXUFRQH-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.64
Rot. Bonds4

About N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 126615650) has the molecular formula C18H25N7S and a molecular weight of 371.51 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID126615650
Molecular FormulaC18H25N7S
Molecular Weight371.51 g/mol
Exact Mass371.19
IUPAC NameN,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C2CCCN(Cc3sc(N(C)C)nc3C)C2)n2ncnc2n1
InChIInChI=1S/C18H25N7S/c1-12-8-15(25-17(21-12)19-11-20-25)14-6-5-7-24(9-14)10-16-13(2)22-18(26-16)23(3)4/h8,11,14H,5-7,9-10H2,1-4H3
InChIKeyRVVZPRSNXUFRQH-UHFFFAOYSA-N
XLogP2.64
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

US11186582, Example 195
CID 118479637
US11186582, Example 196
CID 118479682
2-(4-Butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
CID 127043107
US11186582, Example 193
CID 118471406
US11186582, Example 205
CID 118472347
US11186582, Example 202
CID 118472381
US11186582, Example 147
CID 118472545
US11186582, Example 109
CID 118472600
US11186582, Example 201
CID 126615658
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
[3-[7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110235258
N,N-dimethyl-2-[5-[(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride
CID 171343659

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 126615650) is N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Cc1cc(C2CCCN(Cc3sc(N(C)C)nc3C)C2)n2ncnc2n1.
What is the InChIKey of N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is RVVZPRSNXUFRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7S/c1-12-8-15(25-17(21-12)19-11-20-25)14-6-5-7-24(9-14)10-16-13(2)22-18(26-16)23(3)4/h8,11,14H,5-7,9-10H2,1-4H3.
What are the key properties of N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 371.51 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126615650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).