N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide

C18H25N5O2S — CID 137052785

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)n1
InChIInChI=1S/C18H25N5O2S/c1-18(2,3)14-10-26-17(21-14)22-16(25)9-23-6-4-5-12(8-23)13-7-15(24)20-11-19-13/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20,24)(H,21,22,25)/t12-/m1/s1
InChIKeyGKZPBEKOZQBLKY-GFCCVEGCSA-N
MW375.50 g/mol
LogP2.34
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide (PubChem CID 137052785) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide
PubChem CID137052785
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)n1
InChIInChI=1S/C18H25N5O2S/c1-18(2,3)14-10-26-17(21-14)22-16(25)9-23-6-4-5-12(8-23)13-7-15(24)20-11-19-13/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20,24)(H,21,22,25)/t12-/m1/s1
InChIKeyGKZPBEKOZQBLKY-GFCCVEGCSA-N
XLogP2.34
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 91841554
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004522
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004521
2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119910055
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71926963
2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 87017765
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54960004
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 71831330

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide (CID 137052785) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide is CC(C)(C)c1csc(NC(=O)CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide?
The InChIKey is GKZPBEKOZQBLKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-18(2,3)14-10-26-17(21-14)22-16(25)9-23-6-4-5-12(8-23)13-7-15(24)20-11-19-13/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20,24)(H,21,22,25)/t12-/m1/s1.
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 137052785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).