1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine

C10H18N4S — CID 75494045

IUPAC1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
SMILESC/N=C(\NC)NCc1csc(C(C)C)n1
InChIInChI=1S/C10H18N4S/c1-7(2)9-14-8(6-15-9)5-13-10(11-3)12-4/h6-7H,5H2,1-4H3,(H2,11,12,13)
InChIKeyDERZADYHOWGVPD-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.56
Rot. Bonds3

About 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine

1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 75494045) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID75494045
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
SMILESC/N=C(\NC)NCc1csc(C(C)C)n1
InChIInChI=1S/C10H18N4S/c1-7(2)9-14-8(6-15-9)5-13-10(11-3)12-4/h6-7H,5H2,1-4H3,(H2,11,12,13)
InChIKeyDERZADYHOWGVPD-UHFFFAOYSA-N
XLogP1.56
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
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-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 111835033
2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111243463
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111836200
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111837220
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111958048
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111964323
1-(2-ethoxyethyl)-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111897013

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine (CID 75494045) is 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine is C/N=C(\NC)NCc1csc(C(C)C)n1.
What is the InChIKey of 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is DERZADYHOWGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7(2)9-14-8(6-15-9)5-13-10(11-3)12-4/h6-7H,5H2,1-4H3,(H2,11,12,13).
What are the key properties of 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine?
1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 226.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 75494045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).