N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide

C16H17N5OS — CID 134027884

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1CNNC1c1ccccc1
InChIInChI=1S/C16H17N5OS/c22-15(17-8-12-10-21-6-7-23-16(21)19-12)13-9-18-20-14(13)11-4-2-1-3-5-11/h1-7,10,13-14,18,20H,8-9H2,(H,17,22)
InChIKeySTNXJQDQGWYPMC-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.48
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide (PubChem CID 134027884) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
PubChem CID134027884
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1CNNC1c1ccccc1
InChIInChI=1S/C16H17N5OS/c22-15(17-8-12-10-21-6-7-23-16(21)19-12)13-9-18-20-14(13)11-4-2-1-3-5-11/h1-7,10,13-14,18,20H,8-9H2,(H,17,22)
InChIKeySTNXJQDQGWYPMC-UHFFFAOYSA-N
XLogP1.48
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134080169
N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 134059626
trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773716
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71898161
trans-(1S,2S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773714
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122564815
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
CID 52569566
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
CID 52975465
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 75590828
(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide
CID 125168450
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55560269
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide (CID 134027884) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide is O=C(NCc1cn2ccsc2n1)C1CNNC1c1ccccc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is STNXJQDQGWYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-15(17-8-12-10-21-6-7-23-16(21)19-12)13-9-18-20-14(13)11-4-2-1-3-5-11/h1-7,10,13-14,18,20H,8-9H2,(H,17,22).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 134027884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).