N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide

C16H28N4S — CID 111738430

IUPACN',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCc1csc(C(C)C)n1)N1CCC(C)(C)C1
InChIInChI=1S/C16H28N4S/c1-12(2)14-19-13(10-21-14)6-8-18-15(17-5)20-9-7-16(3,4)11-20/h10,12H,6-9,11H2,1-5H3,(H,17,18)
InChIKeyJFZCVXZDWUBEKE-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.12
Rot. Bonds4

About N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide

N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 111738430) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID111738430
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC NameN',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCc1csc(C(C)C)n1)N1CCC(C)(C)C1
InChIInChI=1S/C16H28N4S/c1-12(2)14-19-13(10-21-14)6-8-18-15(17-5)20-9-7-16(3,4)11-20/h10,12H,6-9,11H2,1-5H3,(H,17,18)
InChIKeyJFZCVXZDWUBEKE-UHFFFAOYSA-N
XLogP3.12
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144271
N'-methyl-3-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111723011
N'-methyl-4-(oxolane-2-carbonyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111300397
3-benzyl-N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111724690
N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453853
4-(1,3-benzodioxol-5-ylmethyl)-N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111188803
2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111090626
2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide
CID 71933418
N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111571530
(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124568089
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739984
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide (CID 111738430) is N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide is C/N=C(\NCCc1csc(C(C)C)n1)N1CCC(C)(C)C1.
What is the InChIKey of N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is JFZCVXZDWUBEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-12(2)14-19-13(10-21-14)6-8-18-15(17-5)20-9-7-16(3,4)11-20/h10,12H,6-9,11H2,1-5H3,(H,17,18).
What are the key properties of N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide?
N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 308.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).