2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide

C14H15N5OS — CID 110450636

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide
SMILESCC(N)c1nc(CC(=O)Nc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C14H15N5OS/c1-8(15)14-18-11(7-21-14)5-13(20)17-10-2-3-12-9(4-10)6-16-19-12/h2-4,6-8H,5,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyYWOCIBBGLAXDIF-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.22
Rot. Bonds4

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide (PubChem CID 110450636) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide
PubChem CID110450636
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide
SMILESCC(N)c1nc(CC(=O)Nc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C14H15N5OS/c1-8(15)14-18-11(7-21-14)5-13(20)17-10-2-3-12-9(4-10)6-16-19-12/h2-4,6-8H,5,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyYWOCIBBGLAXDIF-UHFFFAOYSA-N
XLogP2.22
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 62800301
5-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 110451029
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963463
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
6-amino-N-(1H-indazol-5-yl)-2-methylheptanamide
CID 65290989
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide (CID 110450636) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide is CC(N)c1nc(CC(=O)Nc2ccc3[nH]ncc3c2)cs1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide?
The InChIKey is YWOCIBBGLAXDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8(15)14-18-11(7-21-14)5-13(20)17-10-2-3-12-9(4-10)6-16-19-12/h2-4,6-8H,5,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide has a molecular weight of 301.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 110450636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).