2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C18H25N5OS — CID 16582962

IUPAC2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCC1CCc2c(sc3ncnc(NC4CCN(CC(N)=O)CC4)c23)C1
InChIInChI=1S/C18H25N5OS/c1-11-2-3-13-14(8-11)25-18-16(13)17(20-10-21-18)22-12-4-6-23(7-5-12)9-15(19)24/h10-12H,2-9H2,1H3,(H2,19,24)(H,20,21,22)
InChIKeyICIAVXXNEVQTKB-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.18
Rot. Bonds4

About 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 16582962) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID16582962
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCC1CCc2c(sc3ncnc(NC4CCN(CC(N)=O)CC4)c23)C1
InChIInChI=1S/C18H25N5OS/c1-11-2-3-13-14(8-11)25-18-16(13)17(20-10-21-18)22-12-4-6-23(7-5-12)9-15(19)24/h10-12H,2-9H2,1H3,(H2,19,24)(H,20,21,22)
InChIKeyICIAVXXNEVQTKB-UHFFFAOYSA-N
XLogP2.18
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

(7R)-N-(1-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 8566008
N-cyclododecyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44636201
1-[4-[2-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 94420274
N-(1-ethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 8566000
2-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetate
CID 6928059
5-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 2791856
(7S)-7-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 9251872
N-[2-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 32956182
4-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 7174307
3-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 1412534
4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 4652798
2-[[5-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9337334

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 16582962) is 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is CC1CCc2c(sc3ncnc(NC4CCN(CC(N)=O)CC4)c23)C1.
What is the InChIKey of 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is ICIAVXXNEVQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-11-2-3-13-14(8-11)25-18-16(13)17(20-10-21-18)22-12-4-6-23(7-5-12)9-15(19)24/h10-12H,2-9H2,1H3,(H2,19,24)(H,20,21,22).
What are the key properties of 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 16582962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).