(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid

C14H21N3O3S — CID 81118220

IUPAC(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1csc(NC(=O)N2CCC[C@H](C(=O)O)C2)n1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)10-8-21-12(15-10)16-13(20)17-6-4-5-9(7-17)11(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)(H,15,16,20)/t9-/m0/s1
InChIKeyHQSFJGCBRGTHCE-VIFPVBQESA-N
MW311.41 g/mol
LogP2.77
Rot. Bonds2

About (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81118220) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81118220
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1csc(NC(=O)N2CCC[C@H](C(=O)O)C2)n1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)10-8-21-12(15-10)16-13(20)17-6-4-5-9(7-17)11(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)(H,15,16,20)/t9-/m0/s1
InChIKeyHQSFJGCBRGTHCE-VIFPVBQESA-N
XLogP2.77
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079292
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085919
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079257
(2S,4R)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842531
1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122084976
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 124569159
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
1-[(1-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089621

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid (CID 81118220) is (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid is CC(C)(C)c1csc(NC(=O)N2CCC[C@H](C(=O)O)C2)n1.
What is the InChIKey of (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HQSFJGCBRGTHCE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)10-8-21-12(15-10)16-13(20)17-6-4-5-9(7-17)11(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)(H,15,16,20)/t9-/m0/s1.
What are the key properties of (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).