4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine

C12H15N5S — CID 95829128

IUPAC4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine
SMILESNc1nc([C@H]2CCCN(c3ncccn3)C2)cs1
InChIInChI=1S/C12H15N5S/c13-11-16-10(8-18-11)9-3-1-6-17(7-9)12-14-4-2-5-15-12/h2,4-5,8-9H,1,3,6-7H2,(H2,13,16)/t9-/m0/s1
InChIKeyQUFSOPHSSVFJFP-VIFPVBQESA-N
MW261.35 g/mol
LogP1.90
Rot. Bonds2

About 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine

4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine (PubChem CID 95829128) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine
PubChem CID95829128
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine
SMILESNc1nc([C@H]2CCCN(c3ncccn3)C2)cs1
InChIInChI=1S/C12H15N5S/c13-11-16-10(8-18-11)9-3-1-6-17(7-9)12-14-4-2-5-15-12/h2,4-5,8-9H,1,3,6-7H2,(H2,13,16)/t9-/m0/s1
InChIKeyQUFSOPHSSVFJFP-VIFPVBQESA-N
XLogP1.90
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
N,2-dimethyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 110257007
6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 125020940
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 156820250
2-[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 124615473
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
N-pyrazin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 110094062
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95815844
3-[2-methyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanoic acid
CID 110256796
N-[4-[1-(6-pyridin-2-yl-2-pyridinyl)piperidin-3-yl]-1,3-thiazol-2-yl]methanimine
CID 145104480
N-pyridin-2-yl-6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95814623

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine (CID 95829128) is 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine is Nc1nc([C@H]2CCCN(c3ncccn3)C2)cs1.
What is the InChIKey of 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is QUFSOPHSSVFJFP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5S/c13-11-16-10(8-18-11)9-3-1-6-17(7-9)12-14-4-2-5-15-12/h2,4-5,8-9H,1,3,6-7H2,(H2,13,16)/t9-/m0/s1.
What are the key properties of 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine?
4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95829128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).