N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine

C14H15N3S2 — CID 164615526

IUPACN-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCC(C)c1cnc(CNc2ccc3sncc3c2)s1
InChIInChI=1S/C14H15N3S2/c1-9(2)13-7-16-14(18-13)8-15-11-3-4-12-10(5-11)6-17-19-12/h3-7,9,15H,8H2,1-2H3
InChIKeySMBROJQCQLYWAH-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.49
Rot. Bonds4

About N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine

N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (PubChem CID 164615526) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
PubChem CID164615526
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC NameN-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
SMILESCC(C)c1cnc(CNc2ccc3sncc3c2)s1
InChIInChI=1S/C14H15N3S2/c1-9(2)13-7-16-14(18-13)8-15-11-3-4-12-10(5-11)6-17-19-12/h3-7,9,15H,8H2,1-2H3
InChIKeySMBROJQCQLYWAH-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-methyl-1,2-benzothiazol-6-amine
CID 164610254
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoro-1,2-benzothiazol-6-amine
CID 164611317
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
CID 164611814
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164613314
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine
CID 164616519
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoro-1,2-benzothiazol-5-amine
CID 164618658
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164621424
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622394
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
CID 164623656
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-fluoro-1,2-benzothiazol-5-amine
CID 164623932
N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628451
N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
CID 164609772

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine (CID 164615526) is N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is CC(C)c1cnc(CNc2ccc3sncc3c2)s1.
What is the InChIKey of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
The InChIKey is SMBROJQCQLYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-9(2)13-7-16-14(18-13)8-15-11-3-4-12-10(5-11)6-17-19-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine?
N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine has a molecular weight of 289.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164615526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).