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

C11H15N5S2 — CID 3055125

IUPAC2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)N=C(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C11H15N5S2/c1-11(2,3)16-8(14-9-12-4-6-17-9)15-10-13-5-7-18-10/h4-7H,1-3H3,(H2,12,13,14,15,16)
InChIKeyPFSBDLPLNDNMTH-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.28
Rot. Bonds2

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

2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine (PubChem CID 3055125) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine
PubChem CID3055125
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)N=C(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C11H15N5S2/c1-11(2,3)16-8(14-9-12-4-6-17-9)15-10-13-5-7-18-10/h4-7H,1-3H3,(H2,12,13,14,15,16)
InChIKeyPFSBDLPLNDNMTH-UHFFFAOYSA-N
XLogP3.28
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
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

N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-methyl-1,3-thiazol-2-amine
CID 11959081
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
1,3-Bis(1,3-thiazol-2-YL)urea
CID 12995505
N,N'-Di-2-thiazolylethylenediamine
CID 100047
Methanimidamide, N,N'-bis(2-thiazolyl)-
CID 2140730
1,3-Thiazol-2-ylthiourea
CID 2771008
CID 5640478
CID 5640478
N-(1-Methylethyl)-2-thiazolamine
CID 2160964
2-Thioacetylamino-thiazole
CID 5365396
1-Prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea
CID 2312980
(Z)-N,N'-di(thiazol-2-yl)formimidamide
CID 6147307

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine (CID 3055125) is 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine is CC(C)(C)N=C(Nc1nccs1)Nc1nccs1.
What is the InChIKey of 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine?
The InChIKey is PFSBDLPLNDNMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-11(2,3)16-8(14-9-12-4-6-17-9)15-10-13-5-7-18-10/h4-7H,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine?
2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine has a molecular weight of 281.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 3055125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).