2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine

C11H15N5S2 — CID 53471094

IUPAC2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)/N=C(\N)N(c1nccs1)c1nccs1
InChIInChI=1S/C11H15N5S2/c1-11(2,3)15-8(12)16(9-13-4-6-17-9)10-14-5-7-18-10/h4-7H,1-3H3,(H2,12,15)
InChIKeyBWRGKCJZMLZNJD-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.85
Rot. Bonds2

About 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine

2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine (PubChem CID 53471094) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine
PubChem CID53471094
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)/N=C(\N)N(c1nccs1)c1nccs1
InChIInChI=1S/C11H15N5S2/c1-11(2,3)15-8(12)16(9-13-4-6-17-9)10-14-5-7-18-10/h4-7H,1-3H3,(H2,12,15)
InChIKeyBWRGKCJZMLZNJD-UHFFFAOYSA-N
XLogP2.85
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62818927
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
dimethyl 5-[carbamoyl(1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylate
CID 54503967
N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide
CID 76979406
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide
CID 63177184
N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
CID 77012304
1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea
CID 118362143
tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate
CID 141185862
(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid
CID 175420366
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate
CID 175372903

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine (CID 53471094) is 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine is CC(C)(C)/N=C(\N)N(c1nccs1)c1nccs1.
What is the InChIKey of 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine?
The InChIKey is BWRGKCJZMLZNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-11(2,3)15-8(12)16(9-13-4-6-17-9)10-14-5-7-18-10/h4-7H,1-3H3,(H2,12,15).
What are the key properties of 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine?
2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine has a molecular weight of 281.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-bis(1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 53471094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).