N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C19H27N5OS — CID 125026206

IUPACN-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESc1nc(C[C@@H]2CCCN(CC3CCOCC3)C2)cc(Nc2nccs2)n1
InChIInChI=1S/C19H27N5OS/c1-2-16(13-24(6-1)12-15-3-7-25-8-4-15)10-17-11-18(22-14-21-17)23-19-20-5-9-26-19/h5,9,11,14-16H,1-4,6-8,10,12-13H2,(H,20,21,22,23)/t16-/m0/s1
InChIKeyZRXVJYIYRRPIEH-INIZCTEOSA-N
MW373.53 g/mol
LogP3.36
Rot. Bonds6

About N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 125026206) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID125026206
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC NameN-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESc1nc(C[C@@H]2CCCN(CC3CCOCC3)C2)cc(Nc2nccs2)n1
InChIInChI=1S/C19H27N5OS/c1-2-16(13-24(6-1)12-15-3-7-25-8-4-15)10-17-11-18(22-14-21-17)23-19-20-5-9-26-19/h5,9,11,14-16H,1-4,6-8,10,12-13H2,(H,20,21,22,23)/t16-/m0/s1
InChIKeyZRXVJYIYRRPIEH-INIZCTEOSA-N
XLogP3.36
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95821882
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254
N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124965942
N-[6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124980742
4-(dimethylamino)-1-[4-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]but-2-en-1-one
CID 171147417
2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
CID 73440171
(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 96525579
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
tert-butyl (3S)-3-[[6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843275
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 124940637

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 125026206) is N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is c1nc(C[C@@H]2CCCN(CC3CCOCC3)C2)cc(Nc2nccs2)n1.
What is the InChIKey of N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ZRXVJYIYRRPIEH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-2-16(13-24(6-1)12-15-3-7-25-8-4-15)10-17-11-18(22-14-21-17)23-19-20-5-9-26-19/h5,9,11,14-16H,1-4,6-8,10,12-13H2,(H,20,21,22,23)/t16-/m0/s1.
What are the key properties of N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 373.53 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 125026206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).