4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C12H21Cl2N3OS — CID 119451255

IUPAC4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ncsc1C(=O)NC1CCNC1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-12(2,3)10-9(17-7-14-10)11(16)15-8-4-5-13-6-8;;/h7-8,13H,4-6H2,1-3H3,(H,15,16);2*1H
InChIKeyVCWOBTMJDVCWKL-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.38
Rot. Bonds2

About 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119451255) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119451255
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC Name4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ncsc1C(=O)NC1CCNC1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-12(2,3)10-9(17-7-14-10)11(16)15-8-4-5-13-6-8;;/h7-8,13H,4-6H2,1-3H3,(H,15,16);2*1H
InChIKeyVCWOBTMJDVCWKL-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79687974
4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79685772
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
CID 53406202
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119451255) is 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is CC(C)(C)c1ncsc1C(=O)NC1CCNC1.Cl.Cl.
What is the InChIKey of 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is VCWOBTMJDVCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c1-12(2,3)10-9(17-7-14-10)11(16)15-8-4-5-13-6-8;;/h7-8,13H,4-6H2,1-3H3,(H,15,16);2*1H.
What are the key properties of 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119451255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).