N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide

C17H23N5O2S — CID 119067014

IUPACN,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)CCNc2cc(C3CCOC3)ncn2)s1
InChIInChI=1S/C17H23N5O2S/c1-11-16(25-12(2)21-11)17(23)22(3)6-5-18-15-8-14(19-10-20-15)13-4-7-24-9-13/h8,10,13H,4-7,9H2,1-3H3,(H,18,19,20)
InChIKeyOKSLAANZUVCCOW-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.24
Rot. Bonds6

About N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide

N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 119067014) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID119067014
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)CCNc2cc(C3CCOC3)ncn2)s1
InChIInChI=1S/C17H23N5O2S/c1-11-16(25-12(2)21-11)17(23)22(3)6-5-18-15-8-14(19-10-20-15)13-4-7-24-9-13/h8,10,13H,4-7,9H2,1-3H3,(H,18,19,20)
InChIKeyOKSLAANZUVCCOW-UHFFFAOYSA-N
XLogP2.24
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
CID 125172349
N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2H-benzotriazole-5-carboxamide
CID 126429407
N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide
CID 126440751
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 119064821
3,5-dimethyl-2-[[methyl-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one
CID 125160132
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126453717
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
N'-[(3-cyclopropylimidazol-4-yl)methyl]-N'-methyl-N-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 125177015
1,5-dimethyl-4-[[methyl-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]amino]methyl]pyrrole-2-carbonitrile
CID 125176725
N'-[(1-ethylbenzimidazol-2-yl)methyl]-N'-methyl-N-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126446231

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 119067014) is N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)CCNc2cc(C3CCOC3)ncn2)s1.
What is the InChIKey of N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OKSLAANZUVCCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-16(25-12(2)21-11)17(23)22(3)6-5-18-15-8-14(19-10-20-15)13-4-7-24-9-13/h8,10,13H,4-7,9H2,1-3H3,(H,18,19,20).
What are the key properties of N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?
N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119067014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).