2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide

C14H19N7OS2 — CID 99926421

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
SMILESNc1nnc(SCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1
InChIInChI=1S/C14H19N7OS2/c15-12-19-20-14(24-12)23-9-11(22)18-7-10-3-1-6-21(8-10)13-16-4-2-5-17-13/h2,4-5,10H,1,3,6-9H2,(H2,15,19)(H,18,22)/t10-/m0/s1
InChIKeyZUKWLEHNCBQHPG-JTQLQIEISA-N
MW365.49 g/mol
LogP1.04
Rot. Bonds6

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide (PubChem CID 99926421) has the molecular formula C14H19N7OS2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
PubChem CID99926421
Molecular FormulaC14H19N7OS2
Molecular Weight365.49 g/mol
Exact Mass365.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
SMILESNc1nnc(SCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1
InChIInChI=1S/C14H19N7OS2/c15-12-19-20-14(24-12)23-9-11(22)18-7-10-3-1-6-21(8-10)13-16-4-2-5-17-13/h2,4-5,10H,1,3,6-9H2,(H2,15,19)(H,18,22)/t10-/m0/s1
InChIKeyZUKWLEHNCBQHPG-JTQLQIEISA-N
XLogP1.04
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 131913902
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46983824
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
CID 118795123
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 71933169
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 2107152
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl)-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]urea
CID 134089920

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide (CID 99926421) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide is Nc1nnc(SCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide?
The InChIKey is ZUKWLEHNCBQHPG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N7OS2/c15-12-19-20-14(24-12)23-9-11(22)18-7-10-3-1-6-21(8-10)13-16-4-2-5-17-13/h2,4-5,10H,1,3,6-9H2,(H2,15,19)(H,18,22)/t10-/m0/s1.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide has a molecular weight of 365.49 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 99926421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).