N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C16H20N8S — CID 95820330

IUPACN-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Nc2nncs2)nc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C16H20N8S/c1-11-7-13(22-16-23-19-10-25-16)21-15(20-11)12-3-2-6-24(8-12)9-14-17-4-5-18-14/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,17,18)(H,20,21,22,23)/t12-/m0/s1
InChIKeyNDKFRJIGPRTPGA-LBPRGKRZSA-N
MW356.46 g/mol
LogP2.48
Rot. Bonds5

About N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95820330) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID95820330
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC NameN-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Nc2nncs2)nc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C16H20N8S/c1-11-7-13(22-16-23-19-10-25-16)21-15(20-11)12-3-2-6-24(8-12)9-14-17-4-5-18-14/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,17,18)(H,20,21,22,23)/t12-/m0/s1
InChIKeyNDKFRJIGPRTPGA-LBPRGKRZSA-N
XLogP2.48
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269626
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 124989953
N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 155985353
2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
CID 124968077
5-[4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 95856203
2-[(3R)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820195
2-[(3S)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820196
N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820358
4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 110237156
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110095386
4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125014641

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 95820330) is N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1cc(Nc2nncs2)nc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1.
What is the InChIKey of N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NDKFRJIGPRTPGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N8S/c1-11-7-13(22-16-23-19-10-25-16)21-15(20-11)12-3-2-6-24(8-12)9-14-17-4-5-18-14/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,17,18)(H,20,21,22,23)/t12-/m0/s1.
What are the key properties of N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 356.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95820330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).